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4-(Dimethylphenylsilyl)-3-butyn-2-one

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Name

4-(Dimethylphenylsilyl)-3-butyn-2-one

EINECS N/A
CAS No. 263914-93-8 Density 0.98 g/cm3
PSA 17.07000 LogP 1.73360
Solubility N/A Melting Point N/A
Formula C12H14OSi Boiling Point 251.2 °C at 760 mmHg
Molecular Weight 202.328 Flash Point 105.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 263914-93-8 (4-(Dimethylphenylsilyl)-3-butyn-2-one) Hazard Symbols N/A
Synonyms

4-(Dimethylphenylsilyl)-3-butyn-2-one;

Article Data 4

4-(Dimethylphenylsilyl)-3-butyn-2-one Specification

The systematic name of 4-(Dimethylphenylsilyl)-3-butyn-2-one is 4-[Dimethyl(phenyl)silyl]but-3-yn-2-one. With the CAS registry number 263914-93-8, it is also named as 3-Butyn-2-one,4-(dimethylphenylsilyl)-. In addition, its molecular formula is C12H14OSi and its molecular weight is 202.32. 

The other characteristics of 4-(Dimethylphenylsilyl)-3-butyn-2-one can be summarized as: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.07; (5)ACD/BCF (pH 5.5): 729.05; (6)ACD/BCF (pH 7.4): 729.05; (7)ACD/KOC (pH 5.5): 3897.29; (8)ACD/KOC (pH 7.4): 3897.29; (9)H bond acceptors: 1; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 61.41 cm3; (15)Molar Volume: 204.7 cm3; (16)Polarizability: 24.34×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 48.85 kJ/mol; (21)Boiling Point: 251.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0207 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(C#C[Si](c1ccccc1)(C)C)C
(2)InChI:InChI=1/C12H14OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8H,1-3H3
(3)InChIKey:LSMMMVXQGJUMSO-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C12H14OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8H,1-3H3
(5)Std. InChIKey:LSMMMVXQGJUMSO-UHFFFAOYSA-N

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